copper(1+);1-ethynyl-2-iodobenzene

C8H4CuI — CID 78062932

IUPACcopper(1+);1-ethynyl-2-iodobenzene
SMILES[C-]#Cc1ccccc1I.[Cu+]
InChIInChI=1S/C8H4I.Cu/c1-2-7-5-3-4-6-8(7)9;/h3-6H;/q-1;+1
InChIKeyJIFQQKMNQSWEAB-UHFFFAOYSA-N
MW290.57 g/mol
LogP2.23
Rot. Bonds

About copper(1+);1-ethynyl-2-iodobenzene

copper(1+);1-ethynyl-2-iodobenzene (PubChem CID 78062932) has the molecular formula C8H4CuI and a molecular weight of 290.57 g/mol. Its IUPAC name is copper(1+);1-ethynyl-2-iodobenzene.

Molecular Properties

Compound Namecopper(1+);1-ethynyl-2-iodobenzene
PubChem CID78062932
Molecular FormulaC8H4CuI
Molecular Weight290.57 g/mol
Exact Mass289.87
IUPAC Namecopper(1+);1-ethynyl-2-iodobenzene
SMILES[C-]#Cc1ccccc1I.[Cu+]
InChIInChI=1S/C8H4I.Cu/c1-2-7-5-3-4-6-8(7)9;/h3-6H;/q-1;+1
InChIKeyJIFQQKMNQSWEAB-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Styrene
CID 7501
Allylbenzene
CID 9309
trans-beta-METHYLSTYRENE
CID 252325
Phenylacetylene
CID 10821
Diphenylacetylene
CID 10390
beta-Methylstyrene
CID 12500
3-Iodotoluene
CID 12268
3-Butenylbenzene
CID 13033
Benzene, ethenyl-, polymer with 1,3-butadiene
CID 62697
1,4-Diethynylbenzene
CID 120463
2-Iodotoluene
CID 5128
4-Iodotoluene
CID 12207

Frequently Asked Questions

What is the IUPAC name of copper(1+);1-ethynyl-2-iodobenzene?
The IUPAC name of copper(1+);1-ethynyl-2-iodobenzene (CID 78062932) is copper(1+);1-ethynyl-2-iodobenzene.
What is the SMILES notation for copper(1+);1-ethynyl-2-iodobenzene?
The canonical SMILES for copper(1+);1-ethynyl-2-iodobenzene is [C-]#Cc1ccccc1I.[Cu+].
What is the InChIKey of copper(1+);1-ethynyl-2-iodobenzene?
The InChIKey is JIFQQKMNQSWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I.Cu/c1-2-7-5-3-4-6-8(7)9;/h3-6H;/q-1;+1.
What are the key properties of copper(1+);1-ethynyl-2-iodobenzene?
copper(1+);1-ethynyl-2-iodobenzene has a molecular weight of 290.57 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-ethynyl-2-iodobenzene is sourced from PubChem (CID 78062932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).